1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(1R)-1-(4-mesylphenyl)ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H28N3O3S2+ MolecularWeight: 386.55252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H27N3O3S2/c1-14(15-4-6-16(7-5-15)25(2,21)22)19-17(24)18-8-3-9-20-10-12-23-13-11-20/h4-7,14H,3,8-13H2,1-2H3,(H2,18,19,24)/p+1/t14-/m1/s1